Hydrochloric Acid → 1-(3-methyl-butylamino)-1H-pyrrole-2-carboxylic acid
Reaction equation
[CH2:19]([O:20][NH2:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[c:7]1[n:8]([NH:12][CH2:13][CH2:14][CH:15]([CH3:16])[CH3:17])[cH:9][cH:10][cH:11]1.[Cl:28][CH2:29][Cl:30].[ClH:18].[cH:31]1[cH:32][cH:33][c:34]([P:35]([Pd:36]([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107]1>>[O:4]=[C:5]([OH:6])[c:7]1[n:8]([NH:12][CH2:13][CH2:14][CH:15]([CH3:16])[CH3:17])[cH:9][cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-e2f7237a08be46ae9b986becc260ec98
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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